SIMILAR PATTERNS OF AMINO ACIDS FOR 3GN8_A_DEXA247_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		3 MET A 168
MET A 190
PHE A 121
 None
 1.18A 3gn8A-1b4eA:
0.0		 3gn8A-1b4eA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		3 MET A 111
MET A  52
PHE A 134
 None
 1.34A 3gn8A-1dr6A:
0.0		 3gn8A-1dr6A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		3 MET A1535
MET A1206
PHE A1197
 None
 1.36A 3gn8A-1eg7A:
0.0		 3gn8A-1eg7A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		3 MET A 338
MET A 489
PHE A 329
 None
 1.38A 3gn8A-1ek2A:
0.0		 3gn8A-1ek2A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k27 5'-DEOXY-5'-METHYLTH
IOADENOSINE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		3 MET A 196
MET A 185
PHE A 177
 MTM  A 401 (-3.7A)
None
MTM  A 401 (-4.8A)
 1.18A 3gn8A-1k27A:
undetectable		 3gn8A-1k27A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 MET A 205
MET A 145
PHE A 212
 None
 1.38A 3gn8A-1kblA:
0.0		 3gn8A-1kblA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		3 MET A 629
MET A 650
PHE A 743
 None
 0.95A 3gn8A-1lufA:
0.0		 3gn8A-1lufA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o66 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Neisseria
meningitidis) 		PF02548
(Pantoate_transf) 		3 MET A 216
MET A  47
PHE A  27
 None
 1.07A 3gn8A-1o66A:
0.0		 3gn8A-1o66A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		3 MET A 180
MET A 166
PHE A 159
 2FA  A 306 (-3.8A)
None
2FA  A 306 (-4.4A)
 1.12A 3gn8A-1pk9A:
0.0		 3gn8A-1pk9A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		3 MET A 172
MET A 429
PHE A 218
 None
 1.34A 3gn8A-1s5jA:
undetectable		 3gn8A-1s5jA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ty4 APOPTOSIS REGULATOR
CED-9
EGG LAYING DEFECTIVE
EGL-1, PROGRAMMED
CELL DEATH ACTIVATOR

(Caenorhabditis
elegans) 		PF00452
(Bcl-2)
PF02180
(BH4)
PF11430
(EGL-1) 		3 MET C  61
MET A 119
PHE A 177
 None
 1.26A 3gn8A-1ty4C:
undetectable		 3gn8A-1ty4C:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		3 MET A 111
MET A  52
PHE A 134
 None
 1.31A 3gn8A-1u70A:
undetectable		 3gn8A-1u70A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		3 MET A 111
MET A  52
PHE A 134
 None
 1.34A 3gn8A-1u71A:
undetectable		 3gn8A-1u71A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9j PROBABLE BUTYRATE
KINASE 2

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		3 MET A 176
MET A 288
PHE A 298
 None
 1.02A 3gn8A-1x9jA:
undetectable		 3gn8A-1x9jA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		3 MET A  69
MET A 150
PHE A  82
 None
FAD  A 401 (-4.8A)
None
 1.38A 3gn8A-1yoaA:
undetectable		 3gn8A-1yoaA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		3 MET 2 256
MET 2  91
PHE 2  63
 None
 1.31A 3gn8A-1z7s2:
undetectable		 3gn8A-1z7s2:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 MET A 334
MET A 343
PHE A 307
 None
 1.22A 3gn8A-2bccA:
undetectable		 3gn8A-2bccA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		3 MET A 266
MET A 319
PHE A 223
 None
 1.17A 3gn8A-2bvtA:
undetectable		 3gn8A-2bvtA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		3 MET A  72
MET A 152
PHE A 167
 None
 1.19A 3gn8A-2c20A:
undetectable		 3gn8A-2c20A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		3 MET A1142
MET A1179
PHE A1217
 None
 1.36A 3gn8A-2ec5A:
undetectable		 3gn8A-2ec5A:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		3 MET A 273
MET A 189
PHE A 251
 None
 1.29A 3gn8A-2eijA:
undetectable		 3gn8A-2eijA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		3 MET A  22
MET A  80
PHE A 167
 None
 1.39A 3gn8A-2gfpA:
undetectable		 3gn8A-2gfpA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		3 MET A  22
MET A 158
PHE A 167
 None
 1.20A 3gn8A-2gfpA:
undetectable		 3gn8A-2gfpA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		3 MET A 119
MET A 202
PHE A 164
 None
 1.27A 3gn8A-2gwcA:
undetectable		 3gn8A-2gwcA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9x PUTATIVE SEPTATION
PROTEIN SPOVG

(Staphylococcus
epidermidis) 		PF04026
(SpoVG) 		3 MET A  77
MET A  68
PHE A  44
 None
 1.32A 3gn8A-2i9xA:
undetectable		 3gn8A-2i9xA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9z PUTATIVE SEPTATION
PROTEIN SPOVG

(Staphylococcus
epidermidis) 		PF04026
(SpoVG) 		3 MET A  77
MET A  68
PHE A  44
 None
None
EDO  A 104 (-4.7A)
 1.30A 3gn8A-2i9zA:
undetectable		 3gn8A-2i9zA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jq5 SEC-C MOTIF

(Rhodopseudomonas
palustris) 		PF02810
(SEC-C) 		3 MET A  68
MET A  32
PHE A  44
 None
 1.37A 3gn8A-2jq5A:
undetectable		 3gn8A-2jq5A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ls8 C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER D

(Homo sapiens) 		PF00059
(Lectin_C) 		3 MET A  34
MET A   1
PHE A  16
 None
 0.96A 3gn8A-2ls8A:
undetectable		 3gn8A-2ls8A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		3 MET A 215
MET A   1
PHE A 209
 None
 1.24A 3gn8A-2nq9A:
undetectable		 3gn8A-2nq9A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 MET A 750
MET A 850
PHE A 778
 None
 1.26A 3gn8A-2obeA:
undetectable		 3gn8A-2obeA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		3 MET A 820
MET A 764
PHE A 805
 None
GOL  A3008 (-4.8A)
None
 1.26A 3gn8A-2okxA:
undetectable		 3gn8A-2okxA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		3 MET A 195
MET A 252
PHE A 220
 None
 0.81A 3gn8A-2pidA:
undetectable		 3gn8A-2pidA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 MET A 380
MET A 390
PHE A 532
 None
 1.14A 3gn8A-2q5oA:
undetectable		 3gn8A-2q5oA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpv PROTEIN MIF2

(Saccharomyces
cerevisiae) 		PF11699
(CENP-C_C) 		3 MET A 522
MET A 444
PHE A 439
 None
 1.19A 3gn8A-2vpvA:
undetectable		 3gn8A-2vpvA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 MET O 254
MET O 272
PHE O 250
 None
 1.28A 3gn8A-2zf5O:
undetectable		 3gn8A-2zf5O:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		3 MET A  54
MET A  90
PHE A  47
 None
 1.06A 3gn8A-3b9gA:
undetectable		 3gn8A-3b9gA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		3 MET A 149
MET A 132
PHE A  87
 None
 1.19A 3gn8A-3dqqA:
undetectable		 3gn8A-3dqqA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4c CASPASE-1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		3 MET A 189
MET A 345
PHE A 349
 None
 1.14A 3gn8A-3e4cA:
undetectable		 3gn8A-3e4cA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgx RBSTP2171

(Geobacillus
stearothermophilus) 		no annotation 3 MET A  63
MET A 100
PHE A  70
 None
 1.16A 3gn8A-3fgxA:
undetectable		 3gn8A-3fgxA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 MET A  69
MET A 576
PHE A 164
 None
 1.32A 3gn8A-3fn9A:
undetectable		 3gn8A-3fn9A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzv PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		3 MET A 196
MET A 230
PHE A 208
 None
 1.26A 3gn8A-3fzvA:
undetectable		 3gn8A-3fzvA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 MET A 334
MET A 343
PHE A 307
 None
 1.26A 3gn8A-3h1lA:
undetectable		 3gn8A-3h1lA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		3 MET A 184
MET A 171
PHE A   7
 None
 0.98A 3gn8A-3i44A:
undetectable		 3gn8A-3i44A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihu TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Cupriavidus
pinatubonensis) 		PF00392
(GntR)
PF07729
(FCD) 		3 MET A 150
MET A  96
PHE A 143
 None
 1.28A 3gn8A-3ihuA:
undetectable		 3gn8A-3ihuA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		3 MET A 234
MET A  66
PHE A 186
 None
 0.95A 3gn8A-3ju7A:
undetectable		 3gn8A-3ju7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		3 MET A   1
MET A 231
PHE A  -2
 None
 1.38A 3gn8A-3k0bA:
undetectable		 3gn8A-3k0bA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		3 MET A 283
MET A 480
PHE A 182
 None
 1.34A 3gn8A-3kzwA:
undetectable		 3gn8A-3kzwA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		3 MET A 341
MET A 358
PHE A 435
 None
 1.22A 3gn8A-3lijA:
undetectable		 3gn8A-3lijA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		3 MET A 944
MET A1038
PHE A1029
 None
 1.29A 3gn8A-3ne5A:
undetectable		 3gn8A-3ne5A:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		3 MET A 223
MET A 212
PHE A 204
 XAN  A 288 (-4.3A)
None
None
 1.22A 3gn8A-3odgA:
undetectable		 3gn8A-3odgA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		3 MET A 194
MET A 180
PHE A 173
 DIH  A 500 (-3.8A)
None
DIH  A 500 (-4.3A)
 1.14A 3gn8A-3of3A:
undetectable		 3gn8A-3of3A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		3 MET A 294
MET A 111
PHE A 268
 None
 1.17A 3gn8A-3ogzA:
undetectable		 3gn8A-3ogzA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		3 MET A 208
MET A 222
PHE A 228
 None
 1.23A 3gn8A-3omnA:
undetectable		 3gn8A-3omnA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		3 MET A  36
MET A 182
PHE A 168
 None
 1.38A 3gn8A-3pieA:
undetectable		 3gn8A-3pieA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 MET A 196
MET A 308
PHE A 304
 None
ACR  A 664 ( 3.8A)
None
 1.35A 3gn8A-3pocA:
undetectable		 3gn8A-3pocA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 MET A 475
MET A 434
PHE A 471
 None
 1.12A 3gn8A-3pocA:
undetectable		 3gn8A-3pocA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00443
(UCH) 		3 MET A 874
MET A 714
PHE A 709
 None
 1.18A 3gn8A-3wxfA:
undetectable		 3gn8A-3wxfA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw7 PUTATIVE ADENYLATE
KINASE

(Pyrococcus
abyssi) 		PF13238
(AAA_18) 		3 MET A  78
MET A   1
PHE A  34
 None
 1.00A 3gn8A-4cw7A:
undetectable		 3gn8A-4cw7A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		3 MET A  42
MET A  49
PHE A  66
 None
 1.33A 3gn8A-4e2oA:
undetectable		 3gn8A-4e2oA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 MET A 413
MET A 367
PHE A 351
 AMP  A 601 ( 3.8A)
None
AMP  A 601 (-3.3A)
 1.35A 3gn8A-4eq5A:
undetectable		 3gn8A-4eq5A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16415
(CNOT1_CAF1_bind) 		3 MET A1127
MET A1136
PHE A1152
 None
 1.30A 3gn8A-4gmjA:
undetectable		 3gn8A-4gmjA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpn 6-PHOSPHO-BETA-D-GLU
COSIDASE

(Streptococcus
mutans) 		PF00232
(Glyco_hydro_1) 		3 MET A  36
MET A 436
PHE A 131
 None
None
6GB  A 501 ( 4.9A)
 1.35A 3gn8A-4gpnA:
undetectable		 3gn8A-4gpnA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 3 MET B 424
MET B 277
PHE B 417
 None
 1.38A 3gn8A-4iu9B:
undetectable		 3gn8A-4iu9B:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		3 MET A 208
MET A 227
PHE A 203
 None
 1.12A 3gn8A-4k81A:
undetectable		 3gn8A-4k81A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		3 MET B 304
MET B 111
PHE B 245
 None
 1.33A 3gn8A-4nenB:
undetectable		 3gn8A-4nenB:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		3 MET A 161
MET A  63
PHE A 356
 None
 1.18A 3gn8A-4q88A:
undetectable		 3gn8A-4q88A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		3 MET B 583
MET A 691
PHE B 576
 None
CLA  A9013 ( 3.6A)
CLA  B1226 (-3.7A)
 1.28A 3gn8A-4rkuB:
undetectable		 3gn8A-4rkuB:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwa SOLUBLE CYTOCHROME
B562,DELTA-TYPE
OPIOID RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		3 MET A 132
MET A 141
PHE A 222
 None
OLC  A1201 (-3.5A)
None
 1.02A 3gn8A-4rwaA:
undetectable		 3gn8A-4rwaA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tps SPORULATION
INHIBITOR OF
REPLICATION PROTEIN
SIRA

(Bacillus
subtilis) 		PF10747
(SirA) 		3 MET A  96
MET A 129
PHE A 115
 None
 1.24A 3gn8A-4tpsA:
undetectable		 3gn8A-4tpsA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		3 MET A 227
MET A 180
PHE A 168
 None
EDO  A 505 ( 4.9A)
None
 1.26A 3gn8A-4tqtA:
undetectable		 3gn8A-4tqtA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 MET A  90
MET A  79
PHE A 381
 None
 0.76A 3gn8A-4uplA:
undetectable		 3gn8A-4uplA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		3 MET A 115
MET A 250
PHE A 257
 None
 1.30A 3gn8A-4w91A:
undetectable		 3gn8A-4w91A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		3 MET B 348
MET B 375
PHE B 330
 None
 1.39A 3gn8A-4wj3B:
undetectable		 3gn8A-4wj3B:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z1x LAGLIDADG
ENDONUCLEASE

(Fusarium
graminearum) 		PF00961
(LAGLIDADG_1) 		3 MET A 170
MET A 162
PHE A 231
 None
 1.29A 3gn8A-4z1xA:
undetectable		 3gn8A-4z1xA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		3 MET A 233
MET A 287
PHE A 181
 None
 1.34A 3gn8A-4zm6A:
undetectable		 3gn8A-4zm6A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		3 MET A 537
MET A 204
PHE A 195
 None
 1.32A 3gn8A-5a5gA:
undetectable		 3gn8A-5a5gA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		3 MET A 416
MET A  88
PHE A 383
 None
 1.26A 3gn8A-5bukA:
undetectable		 3gn8A-5bukA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czy LEGIONELLA EFFECTOR
LEGAS4

(Legionella
pneumophila) 		PF00023
(Ank)
PF00856
(SET) 		3 MET A 456
MET A 483
PHE A 492
 None
 1.35A 3gn8A-5czyA:
undetectable		 3gn8A-5czyA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		3 MET A 279
MET A 310
PHE A  42
 None
 0.86A 3gn8A-5da0A:
undetectable		 3gn8A-5da0A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 MET A 918
MET A 970
PHE A 961
 PTR  A 928 (-4.9A)
None
None
 1.23A 3gn8A-5fm2A:
undetectable		 3gn8A-5fm2A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		3 MET A 279
MET A 310
PHE A  42
 None
 0.86A 3gn8A-5iofA:
undetectable		 3gn8A-5iofA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9r CHOLOYLGLYCINE
HYDROLASE

(Agrobacterium
tumefaciens) 		PF02275
(CBAH) 		3 MET A  69
MET A  19
PHE A 268
 None
 1.35A 3gn8A-5j9rA:
undetectable		 3gn8A-5j9rA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 MET A 501
MET A 590
PHE A 522
 None
 1.34A 3gn8A-5jouA:
undetectable		 3gn8A-5jouA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 MET A 590
MET A 501
PHE A 583
 None
 0.81A 3gn8A-5jouA:
undetectable		 3gn8A-5jouA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		3 MET A 428
MET A 264
PHE A 421
 None
 1.37A 3gn8A-5kqiA:
undetectable		 3gn8A-5kqiA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		3 MET C  80
MET C  23
PHE C  51
 None
 1.38A 3gn8A-5ks8C:
undetectable		 3gn8A-5ks8C:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldd CCZ1
MON1

(Chaetomium
thermophilum) 		PF03164
(Mon1)
PF08217
(DUF1712) 		3 MET B 111
MET A 249
PHE A 258
 None
 1.31A 3gn8A-5lddB:
undetectable		 3gn8A-5lddB:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		3 MET A 298
MET A 325
PHE A 319
 None
 1.30A 3gn8A-5mscA:
undetectable		 3gn8A-5mscA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		3 MET B 218
MET B 209
PHE B 426
 None
 1.32A 3gn8A-5n28B:
undetectable		 3gn8A-5n28B:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sva DNA REPAIR HELICASE
RAD3

(Saccharomyces
cerevisiae) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		3 MET Y 679
MET Y 525
PHE Y 540
 None
 1.21A 3gn8A-5svaY:
undetectable		 3gn8A-5svaY:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uam ULVAN LYASE-PL25

(Pseudoalteromonas
sp. PLSV) 		PF15892
(BNR_4) 		3 MET A 194
MET A 128
PHE A 202
 None
 1.33A 3gn8A-5uamA:
undetectable		 3gn8A-5uamA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v7v ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE COMPONENT
HRD3

(Saccharomyces
cerevisiae) 		PF08238
(Sel1) 		3 MET A 473
MET A 438
PHE A 481
 None
 1.17A 3gn8A-5v7vA:
undetectable		 3gn8A-5v7vA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x2d TEGUMENTAL PROTEIN
20.8 KDA

(Clonorchis
sinensis) 		PF01221
(Dynein_light) 		3 MET A 159
MET A 143
PHE A 136
 None
 1.36A 3gn8A-5x2dA:
undetectable		 3gn8A-5x2dA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 MET A 235
MET A 242
PHE A 283
 None
S0N  A 501 ( 4.1A)
None
 1.13A 3gn8A-5x8gA:
undetectable		 3gn8A-5x8gA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 3 MET A 318
MET A  15
PHE A  26
 None
 1.38A 3gn8A-5x8zA:
undetectable		 3gn8A-5x8zA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xw5 TYROSINE-PROTEIN
PHOSPHATASE CDC14

(Saccharomyces
cerevisiae) 		PF00782
(DSPc)
PF14671
(DSPn) 		3 MET A  54
MET A 320
PHE A  51
 None
 1.32A 3gn8A-5xw5A:
undetectable		 3gn8A-5xw5A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 3 MET A 535
MET B 408
PHE B 339
 None
 1.14A 3gn8A-5y58A:
undetectable		 3gn8A-5y58A:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 3 MET A1656
MET A2526
PHE A2440
 None
 1.28A 3gn8A-5yz0A:
undetectable		 3gn8A-5yz0A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 3 MET A 746
MET A  54
PHE A 751
 None
 0.97A 3gn8A-6bogA:
undetectable		 3gn8A-6bogA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 3 MET B 671
MET B 219
PHE B 582
 None
 1.12A 3gn8A-6bywB:
undetectable		 3gn8A-6bywB:
15.55